SCHEMBL21311040

SCHEMBL21311040

Nc1nc2ccccc2n1[C@@H]1CC[C@H](O)[C@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 4/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ CCR5 P51681 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ EGFR P00533 3/20 0.43
▸ NOS2 P35228 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ OGFRL1 Q5TC84 3/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PRKACA P17612 3/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21311043 1.00 RPS6KB1 (0.44) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21310931 1.00 RPS6KB1 (0.44) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21310918 0.87 RPS6KB1 (0.45) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21310921 0.87 RPS6KB1 (0.45) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21310915 0.84 RPS6KB1 (0.50) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21311046 0.84 RPS6KB1 (0.50) RPS6KB1ROCK1CCR5TP53EGFR
SCHEMBL21311265 0.82 PRKACA (0.47) RPS6KB1ROCK1TP53EGFRNOS2
SCHEMBL21311262 0.82 PRKACA (0.47) RPS6KB1ROCK1TP53EGFRNOS2
SCHEMBL21311242 0.82 PRKACA (0.47) RPS6KB1ROCK1TP53EGFRNOS2
SCHEMBL22725453 0.81 NOS2 (0.46) RPS6KB1ROCK1CCR5TP53EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 RPS6KB1 357/4885ROCK1 651/4885CCR5 1007/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 RPS6KB1 412/4885ROCK1 504/4885CCR5 928/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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